N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide

C25H29N3O — CID 78895302

IUPACN-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
SMILESCCN(Cc1ccccc1)c1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1
InChIInChI=1S/C25H29N3O/c1-4-28(18-22-8-6-5-7-9-22)24-14-11-21(12-15-24)17-26-23-13-10-19(2)25(16-23)27-20(3)29/h5-16,26H,4,17-18H2,1-3H3,(H,27,29)
InChIKeyDFVSDLVEIYUEJG-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.59
Rot. Bonds8

About N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide

N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide (PubChem CID 78895302) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
PubChem CID78895302
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
SMILESCCN(Cc1ccccc1)c1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1
InChIInChI=1S/C25H29N3O/c1-4-28(18-22-8-6-5-7-9-22)24-14-11-21(12-15-24)17-26-23-13-10-19(2)25(16-23)27-20(3)29/h5-16,26H,4,17-18H2,1-3H3,(H,27,29)
InChIKeyDFVSDLVEIYUEJG-UHFFFAOYSA-N
XLogP5.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
CID 60536220
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide (CID 78895302) is N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide is CCN(Cc1ccccc1)c1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1.
What is the InChIKey of N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide?
The InChIKey is DFVSDLVEIYUEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-4-28(18-22-8-6-5-7-9-22)24-14-11-21(12-15-24)17-26-23-13-10-19(2)25(16-23)27-20(3)29/h5-16,26H,4,17-18H2,1-3H3,(H,27,29).
What are the key properties of N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide?
N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 78895302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).